SCHEMBL2225015

SCHEMBL2225015

Nc1cccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.53
HDAC1 Q13547 9/20 0.47
HDAC8 Q9BY41 7/20 0.47
HDAC5 Q9UQL6 2/20 0.47
HDAC4 P56524 6/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18824382 0.89 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL16635800 0.84 L3MBTL1 (0.47) HDAC6KDM4EMEN1ALDH1A1LMNA
SCHEMBL16104094 0.83 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL2306387 0.83 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL12377809 0.81 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC4KDM4E
SCHEMBL6170178 0.81 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL28509888 0.81 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL2700032 0.80 HDAC4 (0.57) HDAC6HDAC1HDAC8HDAC4
SCHEMBL10552640 0.80 HDAC4 (0.62) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL29625980 0.80 HDAC6 (0.65) HDAC6HDAC1HDAC8HDAC5HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
US-4243409-A 1,2,4-Oxadiazole derivatives and herbicide composition containing same SCHERING AKTIENGESELLSCHAFT 1981-01-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC6 1474/4885HDAC1 640/4885HDAC8 1583/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B HDAC6 1763/4885HDAC1 1440/4885HDAC8 2959/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC6 1474/4885HDAC1 640/4885HDAC8 1583/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.